Interactions and chemical reactions in ionic alkali-metal and alkaline-earth-metal diatomic 
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 and triatomic 
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 systems

Śmiałkowski, Michał; Tomza, Michał

doi:10.1103/physreva.101.012501

Cited by 29 publications

(26 citation statements)

References 149 publications

(121 reference statements)

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“…The present value of the dissociation energy is in agreement with, but 500 times more accurate than, the only other experimental value we could find in the literature (10 200(300) cm −1 [25]). Molecular constants from recent ab initio calculations [5,27,29,30] are consistent with the present values (see Table II for a detailed comparison with the results of Refs. 5,30).…”

Section: Molecular Constantssupporting

confidence: 91%

“…The potential-energy function of the X + state of Mg + 2 is from Ref. 30. The twophoton ionization scheme used in the experiment is illustrated by the vertical arrows.…”

Section: Methodsmentioning

confidence: 99%

“…Most of what is known on this ion was obtained in highlevel ab initio calculations [5,[26][27][28][29][30][31]. The development of hybrid ion-atom traps, accommodating both ultracold atomic gases and trapped ions (see, e.g., Refs.…”

Section: Introductionmentioning

confidence: 99%

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Characterization of the electronic ground state of Mg$_2^+$ by PFI-ZEKE photoelectron spectroscopy

Génévriez,

Holdener,

Kreis

et al. 2022

Preprint

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Section: Molecular Constantssupporting

confidence: 91%

“…The potential-energy function of the X + state of Mg + 2 is from Ref. 30. The twophoton ionization scheme used in the experiment is illustrated by the vertical arrows.…”

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Characterization of the electronic ground state of Mg$_2^+$ by PFI-ZEKE photoelectron spectroscopy

Génévriez,

Holdener,

Kreis

et al. 2022

Preprint

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“…We use the calculated potential-well depths, D e , to assess the stability of the investigated molecules against atomexchange chemical reactions [80][81][82]. A ground-state heteronuclear molecule AB can undergo an atom-exchange chemical reaction,…”

Section: Chemical Reactionsmentioning

confidence: 99%

“…Finally, most probably the trimer formation reactions are another path of chemical losses for all considered molecules [80][81][82],…”

Section: Chemical Reactionsmentioning

confidence: 99%

Van der Waals molecules consisting of a zinc or cadmium atom interacting with an alkali-metal or alkaline-earth-metal atom

Zaremba-Kopczyk,

Tomza

2021

Preprint

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Alkaline-earth-like transition-metal atoms such as Zn and Cd are promising candidates for precision measurements and quantum many-body physics experiments. Here, we theoretically investigate the properties of diatomic molecules containing these closed-shell atoms. We calculate potential energy curves, permanent electric dipole moments, and spectroscopic constants for molecules consisting of either a Zn or Cd atom interacting with an alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atom. We use the ab initio electronic structure coupled cluster method with single, double, and triple excitations combined with large Gaussian basis sets and small-core relativistic energy-consistent pseudopotentials for heavier atoms. We predict that the studied molecules in the ground electronic state are chemically reactive weakly bound van der Waals complexes with small permanent electric dipole moments. The present results may be useful for spectroscopy and application of the studied molecules in modern ultracold physics and chemistry experiments.

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Electronic transitions in Rb2+ dimers solvated in helium

et al. 2021

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We have measured depletion spectra of the heteronuclear (85Rb87Rb+) dimer cation complexed with up to 10 He atoms. Two absorption bands are observed between 920 and 250 nm. The transition into the repulsive 12Σu+ state of HeRb2+ gives rise to a broad feature at 790 nm (12,650 cm−1); it exhibits a blueshift of 98 cm−1 per added He atom. The transition into the bound 12Πu state of HeRb2+ reveals vibrational structure with a band head at ≤ 15,522 cm−1, a harmonic constant of 26 cm−1, and a spin–orbit splitting of ≤ 183 cm−1. The band experiences an average redshift of − 38 cm−1 per added He atom. Ab initio calculations rationalize the shape of the spectra and spectral shifts with respect to the number of helium atoms attached. For a higher number of solvating helium atoms, symmetric solvation on both ends of the Rb2+ ion is predicted.

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Interactions and chemical reactions in ionic alkali-metal and alkaline-earth-metal diatomic AB+ and triatomic A2B+ systems

Cited by 29 publications

References 149 publications

Characterization of the electronic ground state of Mg$_2^+$ by PFI-ZEKE photoelectron spectroscopy

Characterization of the electronic ground state of Mg$_2^+$ by PFI-ZEKE photoelectron spectroscopy

Van der Waals molecules consisting of a zinc or cadmium atom interacting with an alkali-metal or alkaline-earth-metal atom

Electronic transitions in Rb2+ dimers solvated in helium

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